butan-1-ol;1,1-dichloroheptane

C11H24Cl2O — CID 88631006

IUPACbutan-1-ol;1,1-dichloroheptane
SMILESCCCCCCC(Cl)Cl.CCCCO
InChIInChI=1S/C7H14Cl2.C4H10O/c1-2-3-4-5-6-7(8)9;1-2-3-4-5/h7H,2-6H2,1H3;5H,2-4H2,1H3
InChIKeyUIPXZDCKDQZXPY-UHFFFAOYSA-N
MW243.22 g/mol
LogP4.54
Rot. Bonds7

About butan-1-ol;1,1-dichloroheptane

butan-1-ol;1,1-dichloroheptane (PubChem CID 88631006) has the molecular formula C11H24Cl2O and a molecular weight of 243.22 g/mol. Its IUPAC name is butan-1-ol;1,1-dichloroheptane.

Molecular Properties

Compound Namebutan-1-ol;1,1-dichloroheptane
PubChem CID88631006
Molecular FormulaC11H24Cl2O
Molecular Weight243.22 g/mol
Exact Mass242.12
IUPAC Namebutan-1-ol;1,1-dichloroheptane
SMILESCCCCCCC(Cl)Cl.CCCCO
InChIInChI=1S/C7H14Cl2.C4H10O/c1-2-3-4-5-6-7(8)9;1-2-3-4-5/h7H,2-6H2,1H3;5H,2-4H2,1H3
InChIKeyUIPXZDCKDQZXPY-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,1-dichloroheptane
CID 13184
11-octylicosan-1-ol
CID 162349984
4-hexyldodecan-1-ol
CID 23212981
4-heptadecylheptane-1,7-diol
CID 54374368
5-decylheptadecan-1-ol
CID 171774120
1,1-dichloropentane;gallane
CID 174452216
(9R)-octadecane-1,9-diol
CID 10968142
tetracosane-1,19-diol
CID 175364022
heptadecane-1,11-diol
CID 130297922
7-methylpentadecan-1-ol
CID 18427312
icosane-1,9-diol
CID 22758044
docosane-1,11-diol
CID 54487610

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;1,1-dichloroheptane?
The IUPAC name of butan-1-ol;1,1-dichloroheptane (CID 88631006) is butan-1-ol;1,1-dichloroheptane.
What is the SMILES notation for butan-1-ol;1,1-dichloroheptane?
The canonical SMILES for butan-1-ol;1,1-dichloroheptane is CCCCCCC(Cl)Cl.CCCCO.
What is the InChIKey of butan-1-ol;1,1-dichloroheptane?
The InChIKey is UIPXZDCKDQZXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl2.C4H10O/c1-2-3-4-5-6-7(8)9;1-2-3-4-5/h7H,2-6H2,1H3;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;1,1-dichloroheptane?
butan-1-ol;1,1-dichloroheptane has a molecular weight of 243.22 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;1,1-dichloroheptane is sourced from PubChem (CID 88631006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).